⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16415848 | 0.87 | ALDH1A1 (0.36) | — | |
| Dipyridyl SCHEMBL9502945 | 0.80 | — | — | |
| SCHEMBL30382842 | 0.76 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL28893747 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL17976541 | 0.74 | ACHE (0.35) | — | |
| Dipyridyl SCHEMBL864108 | 0.72 | — | — | |
| SCHEMBL22129788 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL3351116 | 0.66 | ACHE (0.32) | — | |
| SCHEMBL28573118 | 0.65 | ALDH1A1 (0.40) | — | |
| Biphenyl SCHEMBL1881607 | 0.61 | ALDH1A1 (0.75) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024029525-A1 | METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUND | ダイキン工業株式会社 | 2024-02-08 | — | — | WO | disclosed |
| US-6855850-B2 | Method of manufacturing fluorine compounds, and a method of recovering or regenerating precursors of fluorinating agents | DAIKIN INDUSTRIES LTD. (JP) | 2005-02-15 | — | — | US | disclosed |
| US-20030216603-A1 | Method of manufacturing fluorine compounds, and a method of recovering or regenerating precursors of fluorinating agents | DAIKIN INDUSTRIES LTD. (JP) | 2003-11-20 | — | — | US | disclosed |